3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide

C22H24N2O2 — CID 126424383

IUPAC3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
SMILESN#Cc1ccccc1-c1cccc(C(=O)NCCCC[C@H]2CCCO2)c1
InChIInChI=1S/C22H24N2O2/c23-16-19-7-1-2-12-21(19)17-8-5-9-18(15-17)22(25)24-13-4-3-10-20-11-6-14-26-20/h1-2,5,7-9,12,15,20H,3-4,6,10-11,13-14H2,(H,24,25)/t20-/m0/s1
InChIKeyXEJKLKNNVSKIPN-FQEVSTJZSA-N
MW348.45 g/mol
LogP4.30
Rot. Bonds7

About 3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide

3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide (PubChem CID 126424383) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide.

Molecular Properties

Compound Name3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
PubChem CID126424383
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
SMILESN#Cc1ccccc1-c1cccc(C(=O)NCCCC[C@H]2CCCO2)c1
InChIInChI=1S/C22H24N2O2/c23-16-19-7-1-2-12-21(19)17-8-5-9-18(15-17)22(25)24-13-4-3-10-20-11-6-14-26-20/h1-2,5,7-9,12,15,20H,3-4,6,10-11,13-14H2,(H,24,25)/t20-/m0/s1
InChIKeyXEJKLKNNVSKIPN-FQEVSTJZSA-N
XLogP4.30
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-2-hydroxyphenyl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118788734
3-(3-fluoro-2-pyridinyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide
CID 126450624
3-[6-(methylamino)pyridazin-3-yl]-N-[4-(oxolan-2-yl)butyl]benzamide
CID 122556166
3-(6-methoxypyridazin-3-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 118773753
3-(2-cyanophenyl)-N-[(3R)-3-morpholin-4-ylbutyl]benzamide
CID 126443395
4-(furan-2-yl)-N-[4-(oxolan-2-yl)butyl]benzamide
CID 91781260
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
N-[3-[[(2S)-oxolan-2-yl]methoxy]propyl]benzamide
CID 94598600
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
3-methoxy-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 134000631
3-amino-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 61276101
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide?
The IUPAC name of 3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide (CID 126424383) is 3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide.
What is the SMILES notation for 3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide?
The canonical SMILES for 3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide is N#Cc1ccccc1-c1cccc(C(=O)NCCCC[C@H]2CCCO2)c1.
What is the InChIKey of 3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide?
The InChIKey is XEJKLKNNVSKIPN-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N2O2/c23-16-19-7-1-2-12-21(19)17-8-5-9-18(15-17)22(25)24-13-4-3-10-20-11-6-14-26-20/h1-2,5,7-9,12,15,20H,3-4,6,10-11,13-14H2,(H,24,25)/t20-/m0/s1.
What are the key properties of 3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide?
3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide has a molecular weight of 348.45 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanophenyl)-N-[4-[(2S)-oxolan-2-yl]butyl]benzamide is sourced from PubChem (CID 126424383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).